ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000017
RECORD_TITLE: 3,5-DIMETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 3,5-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: Cc(c1)cc(O)cc(C)1
CH$IUPAC: InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
CH$LINK: INCHIKEY TUAMRELNJMMDMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025148

AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fr-4900000000-75ebcb5bb55a3173e83d
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  51 13.34 133
  52 5.45 55
  53 10.56 106
  55 4.49 45
  59 2.57 26
  60 5.21 52
  61 2.6 26
  62 2.77 28
  63 4.2 42
  64 2.36 24
  65 6.87 69
  66 2.85 29
  67 2.58 26
  76 5.13 51
  77 34.17 342
  78 10.2 102
  79 20.67 207
  90 3.41 34
  91 17.33 173
  92 2.6 26
  93 5.4 54
  94 3.08 31
  103 3.62 36
  104 2.75 28
  105 2.6 26
  106 23.76 238
  107 99.99 999
  108 8.32 83
  120 8.13 81
  121 55.3 553
  122 95.27 953
  123 8.83 88
//